2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(5-piperidinosulfonyl-2-thienyl)methyl]acetamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27N3O4S2/c1-17(27)26-14-11-18-7-3-4-8-20(18)21(26)15-22(28)24-16-19-9-10-23(31-19)32(29,30)25-12-5-2-6-13-25/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3,(H,24,28)